cyclopropyl-(4-methoxyphenyl)-pyrimidin-5-ylmethanol

C15H16N2O2 — CID 25572

IUPACcyclopropyl-(4-methoxyphenyl)-pyrimidin-5-ylmethanol
SMILESCOc1ccc(C(O)(c2cncnc2)C2CC2)cc1
InChIInChI=1S/C15H16N2O2/c1-19-14-6-4-12(5-7-14)15(18,11-2-3-11)13-8-16-10-17-9-13/h4-11,18H,2-3H2,1H3
InChIKeyHUTDUHSNJYTCAR-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.13
Rot. Bonds4

About cyclopropyl-(4-methoxyphenyl)-pyrimidin-5-ylmethanol

cyclopropyl-(4-methoxyphenyl)-pyrimidin-5-ylmethanol (PubChem CID 25572) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is cyclopropyl-(4-methoxyphenyl)-pyrimidin-5-ylmethanol.

Molecular Properties

Compound Namecyclopropyl-(4-methoxyphenyl)-pyrimidin-5-ylmethanol
PubChem CID25572
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Namecyclopropyl-(4-methoxyphenyl)-pyrimidin-5-ylmethanol
SMILESCOc1ccc(C(O)(c2cncnc2)C2CC2)cc1
InChIInChI=1S/C15H16N2O2/c1-19-14-6-4-12(5-7-14)15(18,11-2-3-11)13-8-16-10-17-9-13/h4-11,18H,2-3H2,1H3
InChIKeyHUTDUHSNJYTCAR-UHFFFAOYSA-N
XLogP2.13
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Diaveridine
CID 21453
Flurprimidol
CID 73668
4-((2,4-Diamino-5-pyrimidinyl)methyl)-2,6-dimethoxyphenol
CID 10423570
2,4-Pyrimidinediamine, 5-((3-methoxyphenyl)methyl)-
CID 101067
2,4-Pyrimidinediamine, 5-((4-methoxyphenyl)methyl)-
CID 88462
2,4-Pyrimidinediamine, 5-((3,5-dimethoxyphenyl)methyl)-
CID 88496
3-Demethyltrimethoprim
CID 12849769
5-[(4-Butoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 623352
Benzyl alcohol, 4-(2,4-diamino-5-pyrimidinylmethyl)-2,6-dimethoxy-alpha,alpha-dimethyl-
CID 41526
5-(4-Methoxy-3,5-dipropenyl-benzyl)-pyrimidine-2,4-diamine
CID 14570150
5-[2-(3,4-Dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 516688
[5-(4-Hexyloxy-phenyl)-pyrimidin-2-yl]-methyl-sulfane
CID 2728726

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(4-methoxyphenyl)-pyrimidin-5-ylmethanol?
The IUPAC name of cyclopropyl-(4-methoxyphenyl)-pyrimidin-5-ylmethanol (CID 25572) is cyclopropyl-(4-methoxyphenyl)-pyrimidin-5-ylmethanol.
What is the SMILES notation for cyclopropyl-(4-methoxyphenyl)-pyrimidin-5-ylmethanol?
The canonical SMILES for cyclopropyl-(4-methoxyphenyl)-pyrimidin-5-ylmethanol is COc1ccc(C(O)(c2cncnc2)C2CC2)cc1.
What is the InChIKey of cyclopropyl-(4-methoxyphenyl)-pyrimidin-5-ylmethanol?
The InChIKey is HUTDUHSNJYTCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-19-14-6-4-12(5-7-14)15(18,11-2-3-11)13-8-16-10-17-9-13/h4-11,18H,2-3H2,1H3.
What are the key properties of cyclopropyl-(4-methoxyphenyl)-pyrimidin-5-ylmethanol?
cyclopropyl-(4-methoxyphenyl)-pyrimidin-5-ylmethanol has a molecular weight of 256.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(4-methoxyphenyl)-pyrimidin-5-ylmethanol is sourced from PubChem (CID 25572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).